by Nikolai V. Shokhirev
Prof. F. Ann Walker Research Group, Department of Chemistry, University of Arizona, Tucson, Arizona 85721, USA
1D NMR Basics
2D NMR Basics
Chemical Exchange
1D NMR with Chemical Exchange
Programs
Contents
 Introduction
 Program "Bloch"
 Programs "TwoLines1D" and "TwoLineNMR"
 Program "TwoSiteExchange"
Introduction
The program solves the Bloch Equations for magnetization:
All parameters have the conventional meaning.
The solution of this equation is:
It satisfies the following initial condition (t=0) :
The pulses rotate the magnetization vector around the x, y and z axes according to the following rotation matrices:

Download here.
The program simulates twoline 1D NMR spectrum with chemical exchange for the case k_{AB} = k_{BA} = k, T_{2A} = T_{2B} = 1/r, .
The case of nonreacting systems:
The case of fast reaction:
Download here. The program TwoLineNMR is more suitable for actual fitting.
The program solves the following system of equations:
Download here.
©Nikolai V. Shokhirev, F. Ann Walker, 20012007